A comparative study of vibrational anharmonicity in the bihalide anions XHX−: X=F, Cl, Br
- 1 March 1999
- journal article
- Published by Elsevier in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
- Vol. 55 (3) , 719-729
- https://doi.org/10.1016/s1386-1425(98)00273-x
Abstract
No abstract availableKeywords
This publication has 32 references indexed in Scilit:
- A comparative study of anharmonicity and matrix effects on the complexes XH:NH3, X=F, Cl, and BrThe Journal of Chemical Physics, 1998
- An ab initio study of anharmonicity and matrix effects on the hydrogen-bonded BrH:NH3 complexMolecular Physics, 1997
- The discrete variable representation of a triatomic Hamiltonian in bond length–bond angle coordinatesThe Journal of Chemical Physics, 1992
- Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–FJournal of Computational Chemistry, 1983
- Many‐body perturbation theory, coupled‐pair many‐electron theory, and the importance of quadruple excitations for the correlation problemInternational Journal of Quantum Chemistry, 1978
- Approximate fourth‐order perturbation theory of the electron correlation energyInternational Journal of Quantum Chemistry, 1978
- Theoretical models incorporating electron correlationInternational Journal of Quantum Chemistry, 1976
- Many-body perturbation theory applied to electron pair correlation energies. I. Closed-shell first-row diatomic hydridesThe Journal of Chemical Physics, 1975
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973
- Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1972